N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide

C18H29N3O3 — CID 75516650

IUPACN-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC(CC(C)C)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C18H29N3O3/c1-12(2)10-16(20-17(23)15-4-7-19-13(15)3)18(24)21-8-5-14(11-22)6-9-21/h4,7,12,14,16,19,22H,5-6,8-11H2,1-3H3,(H,20,23)
InChIKeyZUPDJTYNGWTQLT-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.70
Rot. Bonds6

About N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide

N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 75516650) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID75516650
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC(CC(C)C)C(=O)N1CCC(CO)CC1
InChIInChI=1S/C18H29N3O3/c1-12(2)10-16(20-17(23)15-4-7-19-13(15)3)18(24)21-8-5-14(11-22)6-9-21/h4,7,12,14,16,19,22H,5-6,8-11H2,1-3H3,(H,20,23)
InChIKeyZUPDJTYNGWTQLT-UHFFFAOYSA-N
XLogP1.70
TPSA85.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methyl-1-oxo-1-piperazin-1-ylpentan-2-yl)benzamide
CID 119402573
2-[(2,3-dimethylphenyl)methylamino]-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 111114902
1-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-[(2R)-1-methoxypropan-2-yl]urea
CID 95631526
1-butyl-3-[(2S)-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 95353955
4-chloro-N-[4-methyl-1-oxo-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pentan-2-yl]benzamide
CID 55469448
4-methyl-N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]benzamide
CID 110351340
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
2-methyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-1H-pyrrole-3-carboxamide
CID 97221761
N-[1-(4-acetyl-1,4-diazepan-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134061617
N-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 78774150
(2R)-1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-2-[(3-methylimidazol-4-yl)methylamino]pentan-1-one
CID 124556785
N-[1-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 134055780

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide (CID 75516650) is N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NC(CC(C)C)C(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is ZUPDJTYNGWTQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-12(2)10-16(20-17(23)15-4-7-19-13(15)3)18(24)21-8-5-14(11-22)6-9-21/h4,7,12,14,16,19,22H,5-6,8-11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxymethyl)piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 75516650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).