N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide

C17H33N3O — CID 90447180

IUPACN,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(C)CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)19-11-7-16(8-12-19)13-18(4)17(21)20-9-5-15(3)6-10-20/h14-16H,5-13H2,1-4H3
InChIKeyMYMDECSQSNLIFH-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.89
Rot. Bonds3

About N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide

N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 90447180) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID90447180
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)N(C)CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C17H33N3O/c1-14(2)19-11-7-16(8-12-19)13-18(4)17(21)20-9-5-15(3)6-10-20/h14-16H,5-13H2,1-4H3
InChIKeyMYMDECSQSNLIFH-UHFFFAOYSA-N
XLogP2.89
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide (CID 90447180) is N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide is CC1CCN(C(=O)N(C)CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MYMDECSQSNLIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)19-11-7-16(8-12-19)13-18(4)17(21)20-9-5-15(3)6-10-20/h14-16H,5-13H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide?
N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90447180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).