(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide

C13H22N4O — CID 164642020

IUPAC(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESCc1[nH]cnc1CNC(=O)[C@H](C)N1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-12(16-9-15-10)8-14-13(18)11(2)17-6-4-3-5-7-17/h9,11H,3-8H2,1-2H3,(H,14,18)(H,15,16)/t11-/m0/s1
InChIKeyGJWOETOZVPYHCX-NSHDSACASA-N
MW250.35 g/mol
LogP1.21
Rot. Bonds4

About (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide

(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide (PubChem CID 164642020) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
PubChem CID164642020
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
SMILESCc1[nH]cnc1CNC(=O)[C@H](C)N1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-12(16-9-15-10)8-14-13(18)11(2)17-6-4-3-5-7-17/h9,11H,3-8H2,1-2H3,(H,14,18)(H,15,16)/t11-/m0/s1
InChIKeyGJWOETOZVPYHCX-NSHDSACASA-N
XLogP1.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(4-methylpiperidine-1-carbonyl)-1H-imidazole-4-carboxamide
CID 44201395
1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
2,2-Dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 53145238
N-(2-Methylpropyl)-4-(piperidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 46264348
(2S,4R)-4-amino-N,N-diethyl-1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 56721956
N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
methyl [1-methyl-2-oxo-2-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]carbamate (non-preferred name)
CID 72939847
1-{1-[(4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}pyrrolidin-2-one
CID 74231333
N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
1-(1H-imidazol-5-ylcarbonyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 86284109
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91793008
N-{1-[(1-ethyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}acetamide
CID 91832048

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide (CID 164642020) is (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide is Cc1[nH]cnc1CNC(=O)[C@H](C)N1CCCCC1.
What is the InChIKey of (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide?
The InChIKey is GJWOETOZVPYHCX-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(16-9-15-10)8-14-13(18)11(2)17-6-4-3-5-7-17/h9,11H,3-8H2,1-2H3,(H,14,18)(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide?
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide has a molecular weight of 250.35 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide is sourced from PubChem (CID 164642020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).