N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide

C16H24N4O2 — CID 96522063

IUPACN-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
SMILESCN(CCC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C16H24N4O2/c1-19(11-9-15(21)18-16(17)22)14-8-5-10-20(12-14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H3,17,18,21,22)/t14-/m0/s1
InChIKeyZDZYOZNVWKZLSE-AWEZNQCLSA-N
MW304.39 g/mol
LogP1.17
Rot. Bonds5

About N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide

N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide (PubChem CID 96522063) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
PubChem CID96522063
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide
SMILESCN(CCC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1
InChIInChI=1S/C16H24N4O2/c1-19(11-9-15(21)18-16(17)22)14-8-5-10-20(12-14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H3,17,18,21,22)/t14-/m0/s1
InChIKeyZDZYOZNVWKZLSE-AWEZNQCLSA-N
XLogP1.17
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide?
The IUPAC name of N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide (CID 96522063) is N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide.
What is the SMILES notation for N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide?
The canonical SMILES for N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide is CN(CCC(=O)NC(N)=O)[C@H]1CCCN(c2ccccc2)C1.
What is the InChIKey of N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide?
The InChIKey is ZDZYOZNVWKZLSE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(11-9-15(21)18-16(17)22)14-8-5-10-20(12-14)13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3,(H3,17,18,21,22)/t14-/m0/s1.
What are the key properties of N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide?
N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[methyl-[(3S)-1-phenylpiperidin-3-yl]amino]propanamide is sourced from PubChem (CID 96522063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).