(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide

C18H34N4O2 — CID 97211788

IUPAC(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide
SMILESC[C@H](CN1CCOCC1)NC(=O)N1CCCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C18H34N4O2/c1-16(14-20-10-12-24-13-11-20)19-18(23)22-9-3-2-6-17(15-22)21-7-4-5-8-21/h16-17H,2-15H2,1H3,(H,19,23)/t16-,17-/m1/s1
InChIKeyCPHAOWNFNZPARP-IAGOWNOFSA-N
MW338.50 g/mol
LogP1.37
Rot. Bonds4

About (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide

(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide (PubChem CID 97211788) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide
PubChem CID97211788
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide
SMILESC[C@H](CN1CCOCC1)NC(=O)N1CCCC[C@@H](N2CCCC2)C1
InChIInChI=1S/C18H34N4O2/c1-16(14-20-10-12-24-13-11-20)19-18(23)22-9-3-2-6-17(15-22)21-7-4-5-8-21/h16-17H,2-15H2,1H3,(H,19,23)/t16-,17-/m1/s1
InChIKeyCPHAOWNFNZPARP-IAGOWNOFSA-N
XLogP1.37
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide with MolForge

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Related Compounds

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N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
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(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
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1-(4-methylbenzoyl)-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide (CID 97211788) is (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide is C[C@H](CN1CCOCC1)NC(=O)N1CCCC[C@@H](N2CCCC2)C1.
What is the InChIKey of (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide?
The InChIKey is CPHAOWNFNZPARP-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-16(14-20-10-12-24-13-11-20)19-18(23)22-9-3-2-6-17(15-22)21-7-4-5-8-21/h16-17H,2-15H2,1H3,(H,19,23)/t16-,17-/m1/s1.
What are the key properties of (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide?
(3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-3-pyrrolidin-1-ylazepane-1-carboxamide is sourced from PubChem (CID 97211788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).