1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide

C16H25N3O — CID 103958704

IUPAC1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC[C@H](N)c1ccccc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C16H25N3O/c1-3-14(17)13-6-4-5-7-15(13)19-10-12(16(18)20)9-8-11(19)2/h4-7,11-12,14H,3,8-10,17H2,1-2H3,(H2,18,20)/t11?,12?,14-/m0/s1
InChIKeyHXTQOFDIVFYIOQ-YIZWMMSDSA-N
MW275.40 g/mol
LogP2.19
Rot. Bonds4

About 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide

1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide (PubChem CID 103958704) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide
PubChem CID103958704
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide
SMILESCC[C@H](N)c1ccccc1N1CC(C(N)=O)CCC1C
InChIInChI=1S/C16H25N3O/c1-3-14(17)13-6-4-5-7-15(13)19-10-12(16(18)20)9-8-11(19)2/h4-7,11-12,14H,3,8-10,17H2,1-2H3,(H2,18,20)/t11?,12?,14-/m0/s1
InChIKeyHXTQOFDIVFYIOQ-YIZWMMSDSA-N
XLogP2.19
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide (CID 103958704) is 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide is CC[C@H](N)c1ccccc1N1CC(C(N)=O)CCC1C.
What is the InChIKey of 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is HXTQOFDIVFYIOQ-YIZWMMSDSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14(17)13-6-4-5-7-15(13)19-10-12(16(18)20)9-8-11(19)2/h4-7,11-12,14H,3,8-10,17H2,1-2H3,(H2,18,20)/t11?,12?,14-/m0/s1.
What are the key properties of 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide?
1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-1-aminopropyl]phenyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103958704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).