N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H23N3O3 — CID 134047840

IUPACN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C17H23N3O3/c18-16(21)10-20-7-5-14(6-8-20)19-17(22)13-9-12-3-1-2-4-15(12)23-11-13/h1-4,13-14H,5-11H2,(H2,18,21)(H,19,22)
InChIKeyCUDMTLVQIAZABK-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.30
Rot. Bonds4

About N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 134047840) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID134047840
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)CN1CCC(NC(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C17H23N3O3/c18-16(21)10-20-7-5-14(6-8-20)19-17(22)13-9-12-3-1-2-4-15(12)23-11-13/h1-4,13-14H,5-11H2,(H2,18,21)(H,19,22)
InChIKeyCUDMTLVQIAZABK-UHFFFAOYSA-N
XLogP0.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
(3S)-N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 66626198
N-[2-(hydroxymethyl)cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 103798575
N-cyclopropyl-1-[1-[(3R)-3,4-dihydro-2H-chromene-3-carbonyl]piperidin-4-yl]piperidine-4-carboxamide
CID 25461334
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
ethyl 4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepine-4-carbonyl]amino]piperidine-1-carboxylate
CID 97276064
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(3S)-N-[2-(cyclopropylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 40880949
N-[(1R,2R)-2-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 104927114

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 134047840) is N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)CN1CCC(NC(=O)C2COc3ccccc3C2)CC1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CUDMTLVQIAZABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c18-16(21)10-20-7-5-14(6-8-20)19-17(22)13-9-12-3-1-2-4-15(12)23-11-13/h1-4,13-14H,5-11H2,(H2,18,21)(H,19,22).
What are the key properties of N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 134047840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).