3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide

C14H26N2O2 — CID 111443830

IUPAC3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
SMILESCC1CCCC(CNC(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C14H26N2O2/c1-11-3-2-4-12(7-11)8-15-14(18)16-6-5-13(9-16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyKTVRAJXWVRFIIC-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.84
Rot. Bonds3

About 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide

3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 111443830) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
PubChem CID111443830
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide
SMILESCC1CCCC(CNC(=O)N2CCC(CO)C2)C1
InChIInChI=1S/C14H26N2O2/c1-11-3-2-4-12(7-11)8-15-14(18)16-6-5-13(9-16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyKTVRAJXWVRFIIC-UHFFFAOYSA-N
XLogP1.84
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
3-methyl-N-[2-(3-methylcyclohexyl)ethyl]piperidine-1-carboxamide
CID 115629689
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
(3R)-3-(hydroxymethyl)-N-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]piperidine-1-carboxamide
CID 99970481
3-(hydroxymethyl)-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111443816
N-[2-(3,5-dimethylpiperidin-1-yl)-2-methylpropyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443815
N-[[3-[(pyrrolidine-1-carbonylamino)methyl]cyclohexyl]methyl]pyrrolidine-1-carboxamide
CID 43834019
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166202868
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[1-[(3-methylcyclopentyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 107414675
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide (CID 111443830) is 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide is CC1CCCC(CNC(=O)N2CCC(CO)C2)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is KTVRAJXWVRFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-3-2-4-12(7-11)8-15-14(18)16-6-5-13(9-16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18).
What are the key properties of 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide?
3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[(3-methylcyclohexyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 111443830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).