N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide

C19H27N3O2 — CID 119313467

IUPACN-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCCN(C(=O)C2CCCCN2)C1)c1ccccc1
InChIInChI=1S/C19H27N3O2/c23-18(16-8-2-1-3-9-16)21-13-15-7-6-12-22(14-15)19(24)17-10-4-5-11-20-17/h1-3,8-9,15,17,20H,4-7,10-14H2,(H,21,23)
InChIKeyXAERFRVCDUGNNK-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.80
Rot. Bonds4

About N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide

N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide (PubChem CID 119313467) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
PubChem CID119313467
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCCN(C(=O)C2CCCCN2)C1)c1ccccc1
InChIInChI=1S/C19H27N3O2/c23-18(16-8-2-1-3-9-16)21-13-15-7-6-12-22(14-15)19(24)17-10-4-5-11-20-17/h1-3,8-9,15,17,20H,4-7,10-14H2,(H,21,23)
InChIKeyXAERFRVCDUGNNK-UHFFFAOYSA-N
XLogP1.80
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
[3-(hydroxymethyl)piperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104912769
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide
CID 120991772
4-[[[3-(benzamidomethyl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020331
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288828
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
CID 120991771
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
N-[[1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 126814045
3-[[(4-aminobenzoyl)amino]methyl]piperidine-1-carboxylic acid
CID 68520586
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133

Frequently Asked Questions

What is the IUPAC name of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide (CID 119313467) is N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide is O=C(NCC1CCCN(C(=O)C2CCCCN2)C1)c1ccccc1.
What is the InChIKey of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
The InChIKey is XAERFRVCDUGNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(16-8-2-1-3-9-16)21-13-15-7-6-12-22(14-15)19(24)17-10-4-5-11-20-17/h1-3,8-9,15,17,20H,4-7,10-14H2,(H,21,23).
What are the key properties of N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide?
N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide has a molecular weight of 329.44 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(piperidine-2-carbonyl)piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 119313467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).