N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

C13H19N3O3 — CID 62021956

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CN1CCC(CO)CC1)NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H19N3O3/c17-9-10-3-6-16(7-4-10)8-12(18)15-13(19)11-2-1-5-14-11/h1-2,5,10,14,17H,3-4,6-9H2,(H,15,18,19)
InChIKeyLILQSTCSRVPQJF-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.02
Rot. Bonds4

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (PubChem CID 62021956) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
PubChem CID62021956
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
SMILESO=C(CN1CCC(CO)CC1)NC(=O)c1ccc[nH]1
InChIInChI=1S/C13H19N3O3/c17-9-10-3-6-16(7-4-10)8-12(18)15-13(19)11-2-1-5-14-11/h1-2,5,10,14,17H,3-4,6-9H2,(H,15,18,19)
InChIKeyLILQSTCSRVPQJF-UHFFFAOYSA-N
XLogP-0.02
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 62015911
N-[2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 103353103
2-[3-(hydroxymethyl)azetidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 71650111
N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide
CID 115316691
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
N-[2-(2-hydroxyethylsulfanyl)acetyl]-1H-pyrrole-2-carboxamide
CID 43502574
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 103535592
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide (CID 62021956) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is O=C(CN1CCC(CO)CC1)NC(=O)c1ccc[nH]1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LILQSTCSRVPQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-9-10-3-6-16(7-4-10)8-12(18)15-13(19)11-2-1-5-14-11/h1-2,5,10,14,17H,3-4,6-9H2,(H,15,18,19).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 62021956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).