N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide

C18H29N7O3 — CID 125177678

IUPACN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide
SMILESO=C(Cn1ncnn1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C18H29N7O3/c26-17(11-25-21-13-20-22-25)19-7-16-10-24(18(27)12-28-16)9-15-3-5-23(6-4-15)8-14-1-2-14/h13-16H,1-12H2,(H,19,26)/t16-/m1/s1
InChIKeyQANGWQUJTAGZJI-MRXNPFEDSA-N
MW391.48 g/mol
LogP-0.86
Rot. Bonds8

About N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide

N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide (PubChem CID 125177678) has the molecular formula C18H29N7O3 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide
PubChem CID125177678
Molecular FormulaC18H29N7O3
Molecular Weight391.48 g/mol
Exact Mass391.23
IUPAC NameN-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide
SMILESO=C(Cn1ncnn1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C18H29N7O3/c26-17(11-25-21-13-20-22-25)19-7-16-10-24(18(27)12-28-16)9-15-3-5-23(6-4-15)8-14-1-2-14/h13-16H,1-12H2,(H,19,26)/t16-/m1/s1
InChIKeyQANGWQUJTAGZJI-MRXNPFEDSA-N
XLogP-0.86
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(triazol-2-yl)acetamide
CID 125166319
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 125170428
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(2-hydroxyphenyl)acetamide
CID 154568227
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 125159273
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 125165829
(E)-N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-3-phenylprop-2-enamide
CID 118785319
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 125163956
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125161789
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 118763419
N-[[4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 118785493
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 125162074
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 125166643

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide?
The IUPAC name of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide (CID 125177678) is N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide.
What is the SMILES notation for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide?
The canonical SMILES for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide is O=C(Cn1ncnn1)NC[C@@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1.
What is the InChIKey of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide?
The InChIKey is QANGWQUJTAGZJI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H29N7O3/c26-17(11-25-21-13-20-22-25)19-7-16-10-24(18(27)12-28-16)9-15-3-5-23(6-4-15)8-14-1-2-14/h13-16H,1-12H2,(H,19,26)/t16-/m1/s1.
What are the key properties of N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide?
N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide has a molecular weight of 391.48 g/mol, XLogP of -0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-2-(tetrazol-2-yl)acetamide is sourced from PubChem (CID 125177678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).