N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide

C24H33N3O3 — CID 25461334

IUPACN-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1
InChIInChI=1S/C24H33N3O3/c28-23(25-20-5-6-20)17-7-11-26(12-8-17)21-9-13-27(14-10-21)24(29)19-15-18-3-1-2-4-22(18)30-16-19/h1-4,17,19-21H,5-16H2,(H,25,28)/t19-/m1/s1
InChIKeyOIPWSGZBIHOUHY-LJQANCHMSA-N
MW411.55 g/mol
LogP2.22
Rot. Bonds4

About N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide

N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 25461334) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
PubChem CID25461334
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(C2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1
InChIInChI=1S/C24H33N3O3/c28-23(25-20-5-6-20)17-7-11-26(12-8-17)21-9-13-27(14-10-21)24(29)19-15-18-3-1-2-4-22(18)30-16-19/h1-4,17,19-21H,5-16H2,(H,25,28)/t19-/m1/s1
InChIKeyOIPWSGZBIHOUHY-LJQANCHMSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
3-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 95377026
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916
N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
CID 55903636

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide (CID 25461334) is N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(C2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is OIPWSGZBIHOUHY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H33N3O3/c28-23(25-20-5-6-20)17-7-11-26(12-8-17)21-9-13-27(14-10-21)24(29)19-15-18-3-1-2-4-22(18)30-16-19/h1-4,17,19-21H,5-16H2,(H,25,28)/t19-/m1/s1.
What are the key properties of N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide?
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25461334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).