(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide

C16H28N4O — CID 97186741

IUPAC(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](c2nccn2C(C)C)C1
InChIInChI=1S/C16H28N4O/c1-5-18(6-2)16(21)19-10-7-8-14(12-19)15-17-9-11-20(15)13(3)4/h9,11,13-14H,5-8,10,12H2,1-4H3/t14-/m0/s1
InChIKeyFEPYBTIDIGKGGC-AWEZNQCLSA-N
MW292.43 g/mol
LogP3.11
Rot. Bonds4

About (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide

(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 97186741) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide
PubChem CID97186741
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC[C@H](c2nccn2C(C)C)C1
InChIInChI=1S/C16H28N4O/c1-5-18(6-2)16(21)19-10-7-8-14(12-19)15-17-9-11-20(15)13(3)4/h9,11,13-14H,5-8,10,12H2,1-4H3/t14-/m0/s1
InChIKeyFEPYBTIDIGKGGC-AWEZNQCLSA-N
XLogP3.11
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide (CID 97186741) is (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC[C@H](c2nccn2C(C)C)C1.
What is the InChIKey of (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is FEPYBTIDIGKGGC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-18(6-2)16(21)19-10-7-8-14(12-19)15-17-9-11-20(15)13(3)4/h9,11,13-14H,5-8,10,12H2,1-4H3/t14-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide?
(3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97186741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).