(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide

C20H28N4O — CID 120638608

IUPAC(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)CCN1
InChIInChI=1S/C20H28N4O/c1-16-14-18(9-10-21-16)20(25)23-15-19-22-11-13-24(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,13,16,18,21H,5,8-10,12,14-15H2,1H3,(H,23,25)/t16-,18-/m0/s1
InChIKeyXEDHPCXQWWHQHM-WMZOPIPTSA-N
MW340.47 g/mol
LogP2.52
Rot. Bonds7

About (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 120638608) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
PubChem CID120638608
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)CCN1
InChIInChI=1S/C20H28N4O/c1-16-14-18(9-10-21-16)20(25)23-15-19-22-11-13-24(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,13,16,18,21H,5,8-10,12,14-15H2,1H3,(H,23,25)/t16-,18-/m0/s1
InChIKeyXEDHPCXQWWHQHM-WMZOPIPTSA-N
XLogP2.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

5,5-dimethyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 166354903
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxane-3-carboxamide
CID 71975238
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2R)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 96570710
N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71975541
(2S,5R)-5-(aminomethyl)-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]oxolane-2-carboxamide
CID 120801426
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
1-[[1-(3-phenylpropyl)imidazol-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122005640
(2S,4S)-4-methoxy-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 167906073
(2S,4S)-2-methyl-N-[2-[3-(3-phenylpropoxy)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 120631933

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide (CID 120638608) is (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCc2nccn2CCCc2ccccc2)CCN1.
What is the InChIKey of (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is XEDHPCXQWWHQHM-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-14-18(9-10-21-16)20(25)23-15-19-22-11-13-24(19)12-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,13,16,18,21H,5,8-10,12,14-15H2,1H3,(H,23,25)/t16-,18-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[1-(3-phenylpropyl)imidazol-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).