N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide

C25H29N3O — CID 167756872

IUPACN-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide
SMILESCC(Nc1ccc2ccccc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O/c1-19(26-24-12-11-21-9-5-6-10-22(21)17-24)25(29)27-23-13-15-28(16-14-23)18-20-7-3-2-4-8-20/h2-12,17,19,23,26H,13-16,18H2,1H3,(H,27,29)
InChIKeySDZQQFQPZWTGTJ-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.42
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide

N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide (PubChem CID 167756872) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide
PubChem CID167756872
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide
SMILESCC(Nc1ccc2ccccc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H29N3O/c1-19(26-24-12-11-21-9-5-6-10-22(21)17-24)25(29)27-23-13-15-28(16-14-23)18-20-7-3-2-4-8-20/h2-12,17,19,23,26H,13-16,18H2,1H3,(H,27,29)
InChIKeySDZQQFQPZWTGTJ-UHFFFAOYSA-N
XLogP4.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 136554367
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
N-(1-benzylpiperidin-4-yl)-3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanamide
CID 17471908
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]-3-bromobenzamide
CID 42696609
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
N-(1-benzylpiperidin-4-yl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47020366

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide (CID 167756872) is N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide is CC(Nc1ccc2ccccc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide?
The InChIKey is SDZQQFQPZWTGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-19(26-24-12-11-21-9-5-6-10-22(21)17-24)25(29)27-23-13-15-28(16-14-23)18-20-7-3-2-4-8-20/h2-12,17,19,23,26H,13-16,18H2,1H3,(H,27,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide?
N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide has a molecular weight of 387.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(naphthalen-2-ylamino)propanamide is sourced from PubChem (CID 167756872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).