(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

C18H29N3O2 — CID 95164708

IUPAC(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESO=C(CCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)N1CCCC1
InChIInChI=1S/C18H29N3O2/c22-17(20-5-1-2-6-20)3-4-19-18(23)21-12-15-8-13-7-14(9-15)11-16(21)10-13/h13-16H,1-12H2,(H,19,23)/t13-,14+,15?,16?
InChIKeyCXVNEDZXWYENEE-PJPHBNEVSA-N
MW319.45 g/mol
LogP2.22
Rot. Bonds3

About (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide

(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (PubChem CID 95164708) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.

Molecular Properties

Compound Name(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
PubChem CID95164708
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
SMILESO=C(CCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)N1CCCC1
InChIInChI=1S/C18H29N3O2/c22-17(20-5-1-2-6-20)3-4-19-18(23)21-12-15-8-13-7-14(9-15)11-16(21)10-13/h13-16H,1-12H2,(H,19,23)/t13-,14+,15?,16?
InChIKeyCXVNEDZXWYENEE-PJPHBNEVSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
4-hydroxy-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 103994406
3-(1-adamantylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 46564892
[5-[(1S,8R)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-5-oxopentyl]urea
CID 95164398
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
methyl 3-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)piperidine-1-carboxylate
CID 102556462
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 112622922

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The IUPAC name of (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide (CID 95164708) is (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide.
What is the SMILES notation for (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The canonical SMILES for (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is O=C(CCNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)N1CCCC1.
What is the InChIKey of (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
The InChIKey is CXVNEDZXWYENEE-PJPHBNEVSA-N. The full InChI is InChI=1S/C18H29N3O2/c22-17(20-5-1-2-6-20)3-4-19-18(23)21-12-15-8-13-7-14(9-15)11-16(21)10-13/h13-16H,1-12H2,(H,19,23)/t13-,14+,15?,16?.
What are the key properties of (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide?
(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide is sourced from PubChem (CID 95164708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).