N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

C17H23N3O3 — CID 91920846

IUPACN-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cn1
InChIInChI=1S/C17H23N3O3/c1-11-2-3-13(8-18-11)17(23)20-7-6-14(10-21)15(9-20)19-16(22)12-4-5-12/h2-3,8,12,14-15,21H,4-7,9-10H2,1H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyHIZICBMSRACMKC-HUUCEWRRSA-N
MW317.39 g/mol
LogP0.74
Rot. Bonds4

About N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide

N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91920846) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91920846
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cn1
InChIInChI=1S/C17H23N3O3/c1-11-2-3-13(8-18-11)17(23)20-7-6-14(10-21)15(9-20)19-16(22)12-4-5-12/h2-3,8,12,14-15,21H,4-7,9-10H2,1H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyHIZICBMSRACMKC-HUUCEWRRSA-N
XLogP0.74
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide (CID 91920846) is N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is Cc1ccc(C(=O)N2CC[C@H](CO)[C@H](NC(=O)C3CC3)C2)cn1.
What is the InChIKey of N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is HIZICBMSRACMKC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-2-3-13(8-18-11)17(23)20-7-6-14(10-21)15(9-20)19-16(22)12-4-5-12/h2-3,8,12,14-15,21H,4-7,9-10H2,1H3,(H,19,22)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-4-(hydroxymethyl)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.74, 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-(6-methylpyridine-3-carbonyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91920846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).