N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

C16H29N3O2 — CID 91922998

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)C1CC1
InChIInChI=1S/C16H29N3O2/c1-18(2)9-13-10-19(14-5-7-21-8-6-14)11-15(13)17-16(20)12-3-4-12/h12-15H,3-11H2,1-2H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyFKADKHQAQJMTNH-UKRRQHHQSA-N
MW295.43 g/mol
LogP0.55
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 91922998) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID91922998
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCN(C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)C1CC1
InChIInChI=1S/C16H29N3O2/c1-18(2)9-13-10-19(14-5-7-21-8-6-14)11-15(13)17-16(20)12-3-4-12/h12-15H,3-11H2,1-2H3,(H,17,20)/t13-,15-/m1/s1
InChIKeyFKADKHQAQJMTNH-UKRRQHHQSA-N
XLogP0.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 71991296
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
N-(5-oxo-1-propylpyrrolidin-3-yl)-1-(tetrahydro-2H-pyran-4-yl)piperidine-4-carboxamide formate
CID 131911120
N1-(1-Cyclopropanecarbonylpiperidin-4-YL)-N1-(oxan-4-YL)ethane-1,2-diamine
CID 132446285
(S)-(3-Aminopyrrolidin-1-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 53256339
N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide
CID 58848057
1-(Oxane-4-carbonyl)pyrrolidin-3-amine
CID 62068425
(3S)-3-amino-1-(oxan-4-ylmethyl)pyrrolidin-2-one
CID 67498220
(2R)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 70986151
(2S)-3-methyl-2-(oxan-4-ylamino)-1-pyrrolidin-1-ylbutan-1-one
CID 70986574
N-[(3R)-1-tert-butylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90438036
N-[(3R)-1-methylpyrrolidin-3-yl]oxane-4-carboxamide
CID 90442600

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide (CID 91922998) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is CN(C)C[C@@H]1CN(C2CCOCC2)C[C@H]1NC(=O)C1CC1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is FKADKHQAQJMTNH-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-18(2)9-13-10-19(14-5-7-21-8-6-14)11-15(13)17-16(20)12-3-4-12/h12-15H,3-11H2,1-2H3,(H,17,20)/t13-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 91922998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).