N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide

C18H32N4O2 — CID 42693438

IUPACN,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C18H32N4O2/c1-19(2)18(24)22-13-7-16(8-14-22)20-11-5-15(6-12-20)17(23)21-9-3-4-10-21/h15-16H,3-14H2,1-2H3
InChIKeyBURDXIBTTPKDOA-UHFFFAOYSA-N
MW336.48 g/mol
LogP1.47
Rot. Bonds2

About N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide

N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (PubChem CID 42693438) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
PubChem CID42693438
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC NameN,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C18H32N4O2/c1-19(2)18(24)22-13-7-16(8-14-22)20-11-5-15(6-12-20)17(23)21-9-3-4-10-21/h15-16H,3-14H2,1-2H3
InChIKeyBURDXIBTTPKDOA-UHFFFAOYSA-N
XLogP1.47
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide (CID 42693438) is N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
The InChIKey is BURDXIBTTPKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-19(2)18(24)22-13-7-16(8-14-22)20-11-5-15(6-12-20)17(23)21-9-3-4-10-21/h15-16H,3-14H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide has a molecular weight of 336.48 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 42693438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).