4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide

C13H26N4O — CID 83262461

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N2CCC(CN)C2)CC1
InChIInChI=1S/C13H26N4O/c1-15(2)13(18)16-7-4-12(5-8-16)17-6-3-11(9-14)10-17/h11-12H,3-10,14H2,1-2H3
InChIKeyLTFUXGSPOZYYKV-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.41
Rot. Bonds2

About 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 83262461) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID83262461
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(N2CCC(CN)C2)CC1
InChIInChI=1S/C13H26N4O/c1-15(2)13(18)16-7-4-12(5-8-16)17-6-3-11(9-14)10-17/h11-12H,3-10,14H2,1-2H3
InChIKeyLTFUXGSPOZYYKV-UHFFFAOYSA-N
XLogP0.41
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(aminomethyl)pyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylethanamine
CID 117005638
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N,N-dimethylpiperidine-1-carboxamide
CID 83262147
3-(aminomethyl)pyrrolidine-1-carboxylic acid
CID 18470958
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
N,N-dimethyl-4-[2-(methylaminomethyl)morpholin-4-yl]piperidine-1-carboxamide
CID 83261507
(3R)-3-(2,2-dimethylpropyl)-N,N-dimethylpyrrolidine-1-carboxamide
CID 164775319
tert-butyl 4-[3-(aminomethyl)azetidin-1-yl]piperidine-1-carboxylate
CID 45072279
N,N-dimethyl-4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 96582337
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
1-[4-[4-(2-aminoethyl)piperidin-1-yl]piperidin-1-yl]ethanone
CID 114239065

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 83262461) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(N2CCC(CN)C2)CC1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is LTFUXGSPOZYYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-15(2)13(18)16-7-4-12(5-8-16)17-6-3-11(9-14)10-17/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 83262461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).