2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide

C14H27N3O — CID 55257971

IUPAC2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(14(18)16(2)3)17-8-6-12(7-9-17)10-15-13-4-5-13/h11-13,15H,4-10H2,1-3H3
InChIKeyKMYWHQQYIWDSBH-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds5

About 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide

2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide (PubChem CID 55257971) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
PubChem CID55257971
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)N1CCC(CNC2CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11(14(18)16(2)3)17-8-6-12(7-9-17)10-15-13-4-5-13/h11-13,15H,4-10H2,1-3H3
InChIKeyKMYWHQQYIWDSBH-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]propanamide
CID 55257019
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 63848445
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2-methylpropyl)propanamide
CID 63848084
N-butyl-2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]propanamide
CID 63847374
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-ethylpropanamide
CID 81493124
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
N-[(1-butan-2-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 63848083
4-[(3-hydroxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261087
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 81494901
2-[3-(ethylaminomethyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 63847237
methyl 3-[4-[1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]propanoate
CID 78984019
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide (CID 55257971) is 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)N1CCC(CNC2CC2)CC1.
What is the InChIKey of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
The InChIKey is KMYWHQQYIWDSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(14(18)16(2)3)17-8-6-12(7-9-17)10-15-13-4-5-13/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide?
2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide has a molecular weight of 253.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 55257971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).