(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide

C20H27N5O2 — CID 125442586

IUPAC(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C20H27N5O2/c1-15(2)12-25-14-21-10-17(25)11-23-20(27)24-9-5-6-16(13-24)19(26)18-7-3-4-8-22-18/h3-4,7-8,10,14-16H,5-6,9,11-13H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyUXQGYTTWORZFQN-INIZCTEOSA-N
MW369.47 g/mol
LogP2.74
Rot. Bonds6

About (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide

(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide (PubChem CID 125442586) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
PubChem CID125442586
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
SMILESCC(C)Cn1cncc1CNC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1
InChIInChI=1S/C20H27N5O2/c1-15(2)12-25-14-21-10-17(25)11-23-20(27)24-9-5-6-16(13-24)19(26)18-7-3-4-8-22-18/h3-4,7-8,10,14-16H,5-6,9,11-13H2,1-2H3,(H,23,27)/t16-/m0/s1
InChIKeyUXQGYTTWORZFQN-INIZCTEOSA-N
XLogP2.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide
CID 122569446
(3S)-N-[(3-ethylimidazol-4-yl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 125445470
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]cycloheptanamine
CID 50950663
[(3R)-1-[1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95401335
N-[(3-ethylimidazol-4-yl)methyl]azocane-1-carboxamide;formic acid
CID 154911064
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
(2R)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]oxolane-2-carboxamide
CID 29214742
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125157620
[(3R)-1-[2-(benzimidazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753012
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide (CID 125442586) is (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide is CC(C)Cn1cncc1CNC(=O)N1CCC[C@H](C(=O)c2ccccn2)C1.
What is the InChIKey of (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is UXQGYTTWORZFQN-INIZCTEOSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15(2)12-25-14-21-10-17(25)11-23-20(27)24-9-5-6-16(13-24)19(26)18-7-3-4-8-22-18/h3-4,7-8,10,14-16H,5-6,9,11-13H2,1-2H3,(H,23,27)/t16-/m0/s1.
What are the key properties of (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 125442586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).