N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide

C18H27N3O3 — CID 119733611

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1OCCC(N)=O)C1CCCNC1
InChIInChI=1S/C18H27N3O3/c1-13(14-5-4-9-20-12-14)11-18(23)21-15-6-2-3-7-16(15)24-10-8-17(19)22/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3,(H2,19,22)(H,21,23)
InChIKeyKTQQNBUNDZSGSU-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.91
Rot. Bonds8

About N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119733611) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119733611
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccccc1OCCC(N)=O)C1CCCNC1
InChIInChI=1S/C18H27N3O3/c1-13(14-5-4-9-20-12-14)11-18(23)21-15-6-2-3-7-16(15)24-10-8-17(19)22/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3,(H2,19,22)(H,21,23)
InChIKeyKTQQNBUNDZSGSU-UHFFFAOYSA-N
XLogP1.91
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-piperidin-3-ylbutanamide
CID 119691926
(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide
CID 81118686
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119779708
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide (CID 119733611) is N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccccc1OCCC(N)=O)C1CCCNC1.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is KTQQNBUNDZSGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(14-5-4-9-20-12-14)11-18(23)21-15-6-2-3-7-16(15)24-10-8-17(19)22/h2-3,6-7,13-14,20H,4-5,8-12H2,1H3,(H2,19,22)(H,21,23).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 333.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119733611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).