N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

C23H33N5O — CID 45247244

IUPACN-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1ccnc1CN1CCC(N2CCCC(C(=O)NCc3ccccc3)C2)CC1
InChIInChI=1S/C23H33N5O/c1-26-15-11-24-22(26)18-27-13-9-21(10-14-27)28-12-5-8-20(17-28)23(29)25-16-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-18H2,1H3,(H,25,29)
InChIKeyDNBGPZPGZYSUSG-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide

N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 45247244) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
PubChem CID45247244
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
SMILESCn1ccnc1CN1CCC(N2CCCC(C(=O)NCc3ccccc3)C2)CC1
InChIInChI=1S/C23H33N5O/c1-26-15-11-24-22(26)18-27-13-9-21(10-14-27)28-12-5-8-20(17-28)23(29)25-16-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-18H2,1H3,(H,25,29)
InChIKeyDNBGPZPGZYSUSG-UHFFFAOYSA-N
XLogP2.41
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071
1-(1-benzylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 45169933
(3S)-N-benzyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 25288590
[(3S)-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95549340
(3S)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574704
N-benzyl-1-[1-(3-methylsulfanylpropyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45217294
1-(1-benzylpiperidin-4-yl)-N-(1H-imidazol-2-ylmethyl)piperidine-3-carboxamide
CID 56857606
[(3S)-1-cyclopentylpiperidin-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 97202242
(3R)-1-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 95527743
(3R)-1-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580415
(3S)-1-(1-benzylpiperidin-4-yl)-N-(2-imidazol-1-ylethyl)piperidine-3-carboxamide
CID 95550117
(3R)-N-[(4-methyl-2-pyridinyl)methyl]-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96578234

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide (CID 45247244) is N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is Cn1ccnc1CN1CCC(N2CCCC(C(=O)NCc3ccccc3)C2)CC1.
What is the InChIKey of N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is DNBGPZPGZYSUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-26-15-11-24-22(26)18-27-13-9-21(10-14-27)28-12-5-8-20(17-28)23(29)25-16-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-18H2,1H3,(H,25,29).
What are the key properties of N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide?
N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 45247244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).