2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide

C20H32N4O — CID 119868626

IUPAC2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
SMILESCN1CCC(N2CCC(NC(=O)C(N)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N4O/c1-23-11-9-18(10-12-23)24-13-7-17(8-14-24)22-20(25)19(21)15-16-5-3-2-4-6-16/h2-6,17-19H,7-15,21H2,1H3,(H,22,25)
InChIKeyKYYKYGQUAYXMCW-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.23
Rot. Bonds5

About 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide

2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide (PubChem CID 119868626) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
PubChem CID119868626
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide
SMILESCN1CCC(N2CCC(NC(=O)C(N)Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N4O/c1-23-11-9-18(10-12-23)24-13-7-17(8-14-24)22-20(25)19(21)15-16-5-3-2-4-6-16/h2-6,17-19H,7-15,21H2,1H3,(H,22,25)
InChIKeyKYYKYGQUAYXMCW-UHFFFAOYSA-N
XLogP1.23
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
CID 91079232
(2R)-2-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 78984552
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
(2S)-2-amino-N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 104983890
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
2-amino-N-(1-ethylpiperidin-4-yl)-3-phenylpropanamide
CID 61039141
2-amino-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide;hydrochloride
CID 119276757
2-amino-N-[1-(2-methoxyethyl)piperidin-4-yl]-3-phenylpropanamide
CID 119861342
(2S)-2-amino-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 14837100
2-amino-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-phenylpropanamide;dihydrochloride
CID 119892048
(2S)-2-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 119307382
(2S)-2-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119853476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide (CID 119868626) is 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide is CN1CCC(N2CCC(NC(=O)C(N)Cc3ccccc3)CC2)CC1.
What is the InChIKey of 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide?
The InChIKey is KYYKYGQUAYXMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-23-11-9-18(10-12-23)24-13-7-17(8-14-24)22-20(25)19(21)15-16-5-3-2-4-6-16/h2-6,17-19H,7-15,21H2,1H3,(H,22,25).
What are the key properties of 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide?
2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide has a molecular weight of 344.50 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-phenylpropanamide is sourced from PubChem (CID 119868626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).