(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide

C18H30N4O2 — CID 125446744

IUPAC(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide
SMILESCOCC1(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CCCC1
InChIInChI=1S/C18H30N4O2/c1-24-14-18(6-2-3-7-18)13-20-17(23)22-9-4-5-16(12-22)11-21-10-8-19-15-21/h8,10,15-16H,2-7,9,11-14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyDZBULLBGHBFVFO-MRXNPFEDSA-N
MW334.46 g/mol
LogP2.51
Rot. Bonds6

About (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide

(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide (PubChem CID 125446744) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide
PubChem CID125446744
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide
SMILESCOCC1(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CCCC1
InChIInChI=1S/C18H30N4O2/c1-24-14-18(6-2-3-7-18)13-20-17(23)22-9-4-5-16(12-22)11-21-10-8-19-15-21/h8,10,15-16H,2-7,9,11-14H2,1H3,(H,20,23)/t16-/m1/s1
InChIKeyDZBULLBGHBFVFO-MRXNPFEDSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide;formic acid
CID 154907685
methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
(3S)-3-(imidazol-1-ylmethyl)-N-[2-[methyl(2-phenylethyl)amino]ethyl]piperidine-1-carboxamide
CID 126451945
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161
(3R)-3-(imidazol-1-ylmethyl)-N-(3-indol-1-ylpropyl)piperidine-1-carboxamide
CID 126433574
N-[4-(dimethylcarbamoyl)-2-methylphenyl]-3-(imidazol-1-ylmethyl)piperidine-1-carboxamide
CID 118773528
1-[[1-(methoxymethyl)cyclopentyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124096
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
3-[(4-fluorophenoxy)methyl]-N-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 119071193
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
3-(hydroxymethyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboxamide
CID 47016169
(3S)-3-(imidazol-1-ylmethyl)-N-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]piperidine-1-carboxamide
CID 125171773

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide (CID 125446744) is (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide is COCC1(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CCCC1.
What is the InChIKey of (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide?
The InChIKey is DZBULLBGHBFVFO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-24-14-18(6-2-3-7-18)13-20-17(23)22-9-4-5-16(12-22)11-21-10-8-19-15-21/h8,10,15-16H,2-7,9,11-14H2,1H3,(H,20,23)/t16-/m1/s1.
What are the key properties of (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide?
(3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(imidazol-1-ylmethyl)-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125446744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).