N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide

C17H30N2O2 — CID 91905819

IUPACN-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CN(CC2CCCCC2)CC[C@@H]1CO)C1CC1
InChIInChI=1S/C17H30N2O2/c20-12-15-8-9-19(10-13-4-2-1-3-5-13)11-16(15)18-17(21)14-6-7-14/h13-16,20H,1-12H2,(H,18,21)/t15-,16-/m1/s1
InChIKeyDLOJRFUXAUVYKN-HZPDHXFCSA-N
MW294.44 g/mol
LogP1.78
Rot. Bonds5

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

N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 91905819) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID91905819
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESO=C(N[C@@H]1CN(CC2CCCCC2)CC[C@@H]1CO)C1CC1
InChIInChI=1S/C17H30N2O2/c20-12-15-8-9-19(10-13-4-2-1-3-5-13)11-16(15)18-17(21)14-6-7-14/h13-16,20H,1-12H2,(H,18,21)/t15-,16-/m1/s1
InChIKeyDLOJRFUXAUVYKN-HZPDHXFCSA-N
XLogP1.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
N-[(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-yl]cyclopropanecarboxamide
CID 91920868
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
N-[(3S,4S)-1-[(4-chloro-2-fluorophenyl)methyl]-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91915707
(3R)-1-(cyclohexylmethyl)piperidine-3-carbohydrazide
CID 26188676
1-(cyclohexylmethyl)piperidine-3-carbohydrazide
CID 45075063
[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
CID 167806185

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide (CID 91905819) is N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide is O=C(N[C@@H]1CN(CC2CCCCC2)CC[C@@H]1CO)C1CC1.
What is the InChIKey of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is DLOJRFUXAUVYKN-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-12-15-8-9-19(10-13-4-2-1-3-5-13)11-16(15)18-17(21)14-6-7-14/h13-16,20H,1-12H2,(H,18,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 294.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-(cyclohexylmethyl)-4-(hydroxymethyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91905819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).