4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide

C13H27N3O2 — CID 83206989

IUPAC4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCCC(COC)NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-5-11(10-18-4)14-12-6-8-16(9-7-12)13(17)15(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyNCYKCDSNODNWPO-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.15
Rot. Bonds5

About 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide

4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83206989) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83206989
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide
SMILESCCC(COC)NC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-5-11(10-18-4)14-12-6-8-16(9-7-12)13(17)15(2)3/h11-12,14H,5-10H2,1-4H3
InChIKeyNCYKCDSNODNWPO-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide (CID 83206989) is 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide is CCC(COC)NC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is NCYKCDSNODNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-11(10-18-4)14-12-6-8-16(9-7-12)13(17)15(2)3/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide?
4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxybutan-2-ylamino)-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83206989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).