1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide

C13H24N3O2- — CID 143776657

IUPAC1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide
SMILESCCC(=[N-])NC(=O)N1CCC([C@H](C)CCO)CC1
InChIInChI=1S/C13H24N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H-,14,15,18)/q-1/t10-/m1/s1
InChIKeyIINOEDCMRYDVHL-SNVBAGLBSA-N
MW254.35 g/mol
LogP1.80
Rot. Bonds4

About 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide

1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide (PubChem CID 143776657) has the molecular formula C13H24N3O2- and a molecular weight of 254.35 g/mol. Its IUPAC name is 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide.

Molecular Properties

Compound Name1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide
PubChem CID143776657
Molecular FormulaC13H24N3O2-
Molecular Weight254.35 g/mol
Exact Mass254.19
IUPAC Name1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide
SMILESCCC(=[N-])NC(=O)N1CCC([C@H](C)CCO)CC1
InChIInChI=1S/C13H24N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H-,14,15,18)/q-1/t10-/m1/s1
InChIKeyIINOEDCMRYDVHL-SNVBAGLBSA-N
XLogP1.80
TPSA74.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanium
CID 163713083
3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
CID 56794734
3-(2-hydroxyethyl)-N-propylpiperidine-1-carboxamide
CID 62355926
N-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356609
N-butyl-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62357636
(3R)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
CID 95634981
(3S)-3-(2-hydroxyethyl)-N-pentylpiperidine-1-carboxamide
CID 95634982
N-[2-(2-hydroxyethyl)pentyl]piperidine-1-carboxamide
CID 103713748
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-carboxamide
CID 106115923
N-(6-hydroxyhexyl)-3-methylpiperidine-1-carboxamide
CID 107257589
N-(6-hydroxyhexyl)-4-methylpiperidine-1-carboxamide
CID 113937659
N-[2-(2-hydroxyethyl)pentyl]-4-methylpiperidine-1-carboxamide
CID 114145416

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide?
The IUPAC name of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide (CID 143776657) is 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide.
What is the SMILES notation for 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide?
The canonical SMILES for 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide is CCC(=[N-])NC(=O)N1CCC([C@H](C)CCO)CC1.
What is the InChIKey of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide?
The InChIKey is IINOEDCMRYDVHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N3O2/c1-3-12(14)15-13(18)16-7-4-11(5-8-16)10(2)6-9-17/h10-11,17H,3-9H2,1-2H3,(H-,14,15,18)/q-1/t10-/m1/s1.
What are the key properties of 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide?
1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide has a molecular weight of 254.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2R)-4-hydroxybutan-2-yl]piperidine-1-carbonyl]amino]propylideneazanide is sourced from PubChem (CID 143776657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).