(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one

C18H30N4O — CID 164638028

IUPAC(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](N2CCC(Cc3nccn3C)CC2)C1=O
InChIInChI=1S/C18H30N4O/c1-14(2)22-9-4-5-16(18(22)23)21-10-6-15(7-11-21)13-17-19-8-12-20(17)3/h8,12,14-16H,4-7,9-11,13H2,1-3H3/t16-/m0/s1
InChIKeyZREQPYVMDPNUHH-INIZCTEOSA-N
MW318.46 g/mol
LogP2.07
Rot. Bonds4

About (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one

(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 164638028) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID164638028
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(C)N1CCC[C@H](N2CCC(Cc3nccn3C)CC2)C1=O
InChIInChI=1S/C18H30N4O/c1-14(2)22-9-4-5-16(18(22)23)21-10-6-15(7-11-21)13-17-19-8-12-20(17)3/h8,12,14-16H,4-7,9-11,13H2,1-3H3/t16-/m0/s1
InChIKeyZREQPYVMDPNUHH-INIZCTEOSA-N
XLogP2.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one with MolForge

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Related Compounds

1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
1-(Azepan-1-yl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53557751
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
1-(4-Ethylpiperazin-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53566133
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 53599593
2-Methyl-6-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 53609600
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 53617604
1-(2-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)piperidin-1-yl)-2-oxoethyl)pyrrolidine-2,5-dione
CID 56724045
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
3-({4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}carbonyl)-2,8-diazaspiro[4.5]decane
CID 56906160
2-(cyclopropylmethyl)-9-[3-(2-methyl-1H-imidazol-1-yl)propyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70707169

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 164638028) is (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one is CC(C)N1CCC[C@H](N2CCC(Cc3nccn3C)CC2)C1=O.
What is the InChIKey of (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is ZREQPYVMDPNUHH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)22-9-4-5-16(18(22)23)21-10-6-15(7-11-21)13-17-19-8-12-20(17)3/h8,12,14-16H,4-7,9-11,13H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
(3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 318.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[4-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 164638028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).