(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide

C13H25N3O2 — CID 125443618

IUPAC(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
SMILESCN(CCCN1CCCC1)C(=O)[C@@H]1CNCCO1
InChIInChI=1S/C13H25N3O2/c1-15(6-4-9-16-7-2-3-8-16)13(17)12-11-14-5-10-18-12/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyAPDCUJMHUCDDIX-LBPRGKRZSA-N
MW255.36 g/mol
LogP-0.08
Rot. Bonds5

About (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide

(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide (PubChem CID 125443618) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
PubChem CID125443618
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
SMILESCN(CCCN1CCCC1)C(=O)[C@@H]1CNCCO1
InChIInChI=1S/C13H25N3O2/c1-15(6-4-9-16-7-2-3-8-16)13(17)12-11-14-5-10-18-12/h12,14H,2-11H2,1H3/t12-/m0/s1
InChIKeyAPDCUJMHUCDDIX-LBPRGKRZSA-N
XLogP-0.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide
CID 125443617
(2S)-N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 104856250
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-2-carboxamide
CID 63265290
N-(5-piperidin-1-ylpentyl)morpholine-2-carboxamide;dihydrochloride
CID 119885469
N-(2-hydroxypropyl)-N-methylmorpholine-2-carboxamide
CID 62333960
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119752897
N-methyl-N-(oxolan-2-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 119708798
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
N-[2-(cyclopropylmethoxy)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119813302
2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 104548311

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide (CID 125443618) is (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide is CN(CCCN1CCCC1)C(=O)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
The InChIKey is APDCUJMHUCDDIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-15(6-4-9-16-7-2-3-8-16)13(17)12-11-14-5-10-18-12/h12,14H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide?
(2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)morpholine-2-carboxamide is sourced from PubChem (CID 125443618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).