N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

C21H29N5O2 — CID 122566518

IUPACN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCc1nccn1CC1(CNC(=O)N2CCCC(OCc3ccccn3)C2)CC1
InChIInChI=1S/C21H29N5O2/c1-17-22-10-12-26(17)16-21(7-8-21)15-24-20(27)25-11-4-6-19(13-25)28-14-18-5-2-3-9-23-18/h2-3,5,9-10,12,19H,4,6-8,11,13-16H2,1H3,(H,24,27)
InChIKeyRVTDGBVHYQILOJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.76
Rot. Bonds7

About N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide

N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (PubChem CID 122566518) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
PubChem CID122566518
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
SMILESCc1nccn1CC1(CNC(=O)N2CCCC(OCc3ccccn3)C2)CC1
InChIInChI=1S/C21H29N5O2/c1-17-22-10-12-26(17)16-21(7-8-21)15-24-20(27)25-11-4-6-19(13-25)28-14-18-5-2-3-9-23-18/h2-3,5,9-10,12,19H,4,6-8,11,13-16H2,1H3,(H,24,27)
InChIKeyRVTDGBVHYQILOJ-UHFFFAOYSA-N
XLogP2.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126453895
4-cyclopentyl-N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-1,4-diazepane-1-carboxamide
CID 122563164
(3R)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 126427006
3-(2-ethylimidazol-1-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70711493
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 122559189
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 131939331
2-(5-methylpyrazol-1-yl)-1-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 97134776
(3S)-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide
CID 125170232
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazol-5-yl-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 78081491
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide (CID 122566518) is N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is Cc1nccn1CC1(CNC(=O)N2CCCC(OCc3ccccn3)C2)CC1.
What is the InChIKey of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is RVTDGBVHYQILOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-17-22-10-12-26(17)16-21(7-8-21)15-24-20(27)25-11-4-6-19(13-25)28-14-18-5-2-3-9-23-18/h2-3,5,9-10,12,19H,4,6-8,11,13-16H2,1H3,(H,24,27).
What are the key properties of N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide?
N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylimidazol-1-yl)methyl]cyclopropyl]methyl]-3-(pyridin-2-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 122566518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).