N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide

C19H30N6O3 — CID 125163956

IUPACN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C19H30N6O3/c1-13-18(22-23-21-13)19(27)20-8-16-11-25(17(26)12-28-16)10-15-4-6-24(7-5-15)9-14-2-3-14/h14-16H,2-12H2,1H3,(H,20,27)(H,21,22,23)/t16-/m0/s1
InChIKeyYMRWGFWKGJORGW-INIZCTEOSA-N
MW390.49 g/mol
LogP0.19
Rot. Bonds7

About N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide

N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 125163956) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID125163956
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC NameN-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCc1n[nH]nc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1
InChIInChI=1S/C19H30N6O3/c1-13-18(22-23-21-13)19(27)20-8-16-11-25(17(26)12-28-16)10-15-4-6-24(7-5-15)9-14-2-3-14/h14-16H,2-12H2,1H3,(H,20,27)(H,21,22,23)/t16-/m0/s1
InChIKeyYMRWGFWKGJORGW-INIZCTEOSA-N
XLogP0.19
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide (CID 125163956) is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide is Cc1n[nH]nc1C(=O)NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1.
What is the InChIKey of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is YMRWGFWKGJORGW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-13-18(22-23-21-13)19(27)20-8-16-11-25(17(26)12-28-16)10-15-4-6-24(7-5-15)9-14-2-3-14/h14-16H,2-12H2,1H3,(H,20,27)(H,21,22,23)/t16-/m0/s1.
What are the key properties of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide?
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 125163956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).