N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

C16H23N3O3 — CID 91920850

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCn1cccc1C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C16H23N3O3/c1-18-7-2-3-14(18)16(22)19-8-6-12(10-20)13(9-19)17-15(21)11-4-5-11/h2-3,7,11-13,20H,4-6,8-10H2,1H3,(H,17,21)/t12-,13-/m1/s1
InChIKeyJBXBMPFWANQEEL-CHWSQXEVSA-N
MW305.38 g/mol
LogP0.37
Rot. Bonds4

About N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91920850) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91920850
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCn1cccc1C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1
InChIInChI=1S/C16H23N3O3/c1-18-7-2-3-14(18)16(22)19-8-6-12(10-20)13(9-19)17-15(21)11-4-5-11/h2-3,7,11-13,20H,4-6,8-10H2,1H3,(H,17,21)/t12-,13-/m1/s1
InChIKeyJBXBMPFWANQEEL-CHWSQXEVSA-N
XLogP0.37
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylindazole-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91910006
N-[1-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 156611146
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
N-[[(3S,4S)-3-hydroxy-1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 56897452
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 65416595
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
CID 91920868
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
(3-methylpiperazin-1-yl)-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119580519
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 80553966
ethyl (3R)-1-(1-methylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 81344401

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (CID 91920850) is N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is Cn1cccc1C(=O)N1CC[C@H](CO)[C@H](NC(=O)C2CC2)C1.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is JBXBMPFWANQEEL-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-7-2-3-14(18)16(22)19-8-6-12(10-20)13(9-19)17-15(21)11-4-5-11/h2-3,7,11-13,20H,4-6,8-10H2,1H3,(H,17,21)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91920850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).