N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide

C12H25N3O — CID 114424416

IUPACN-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)CN(C)C)C1
InChIInChI=1S/C12H25N3O/c1-9-5-6-13-11(7-9)12(16)14-10(2)8-15(3)4/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyDJQSHQIBNZYEHF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.44
Rot. Bonds4

About N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide

N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide (PubChem CID 114424416) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
PubChem CID114424416
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NC(C)CN(C)C)C1
InChIInChI=1S/C12H25N3O/c1-9-5-6-13-11(7-9)12(16)14-10(2)8-15(3)4/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyDJQSHQIBNZYEHF-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide (CID 114424416) is N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NC(C)CN(C)C)C1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide?
The InChIKey is DJQSHQIBNZYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9-5-6-13-11(7-9)12(16)14-10(2)8-15(3)4/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114424416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).