N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C17H25N3O2 — CID 1071352

IUPACN-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(19-12-16-5-3-11-22-16)14-6-9-20(10-7-14)13-15-4-1-2-8-18-15/h1-2,4,8,14,16H,3,5-7,9-13H2,(H,19,21)/t16-/m1/s1
InChIKeyUPEBQBIOLGJNPW-MRXNPFEDSA-N
MW303.41 g/mol
LogP1.59
Rot. Bonds5

About N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 1071352) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID1071352
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NC[C@H]1CCCO1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C17H25N3O2/c21-17(19-12-16-5-3-11-22-16)14-6-9-20(10-7-14)13-15-4-1-2-8-18-15/h1-2,4,8,14,16H,3,5-7,9-13H2,(H,19,21)/t16-/m1/s1
InChIKeyUPEBQBIOLGJNPW-MRXNPFEDSA-N
XLogP1.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(pyridin-2-ylmethyl)piperazine-1-carbothioamide
CID 133185637
N-[2-[(2S)-oxolan-2-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99708470
1-[(2-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 163328027
1-[(4-ethylphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3148903
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methylidene]amino]acetamide
CID 110039319
1-[[5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 124848975
N-[3-[(2R)-oxan-2-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99715154
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
1-[(4-ethoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide;oxalic acid
CID 123132459
(2R)-2-amino-4-[[1-(pyridin-2-ylmethyl)piperidine-4-carbonyl]amino]butanoic acid
CID 171834271
1-(pyridin-2-ylmethyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 51361852
N-[[(2R)-oxolan-2-yl]methyl]-4-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 121496359

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 1071352) is N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is O=C(NC[C@H]1CCCO1)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is UPEBQBIOLGJNPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(19-12-16-5-3-11-22-16)14-6-9-20(10-7-14)13-15-4-1-2-8-18-15/h1-2,4,8,14,16H,3,5-7,9-13H2,(H,19,21)/t16-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1071352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).