N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide

C17H33N4O3P — CID 140513434

IUPACN-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCNC(=O)C1CCNCC1
InChIInChI=1S/C17H33N4O3P/c1-14(2)21(15(3)4)25(23-12-5-8-18)24-13-11-20-17(22)16-6-9-19-10-7-16/h14-16,19H,5-7,9-13H2,1-4H3,(H,20,22)
InChIKeyXUKUXXXMSCJKQV-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.39
Rot. Bonds11

About N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide

N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide (PubChem CID 140513434) has the molecular formula C17H33N4O3P and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide
PubChem CID140513434
Molecular FormulaC17H33N4O3P
Molecular Weight372.45 g/mol
Exact Mass372.23
IUPAC NameN-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide
SMILESCC(C)N(C(C)C)P(OCCC#N)OCCNC(=O)C1CCNCC1
InChIInChI=1S/C17H33N4O3P/c1-14(2)21(15(3)4)25(23-12-5-8-18)24-13-11-20-17(22)16-6-9-19-10-7-16/h14-16,19H,5-7,9-13H2,1-4H3,(H,20,22)
InChIKeyXUKUXXXMSCJKQV-UHFFFAOYSA-N
XLogP2.39
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]-2-methylprop-2-enamide
CID 56960783
9-bicyclo[6.1.0]non-4-ynylmethyl N-[3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropyl]carbamate
CID 122431940
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]pentanamide
CID 15085418
3-[1-bicyclo[1.1.1]pentanyloxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 153336220
3-[[di(propan-2-yl)amino]-prop-2-ynoxyphosphanyl]oxypropanenitrile
CID 166792181
2-bromo-N-[5-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxypentyl]-2-methylpropanamide
CID 132523788
4-[[4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxycyclohexanecarbonyl]amino]-N-(2-methylbut-3-enyl)-4-[3-(2-methylbut-3-enylamino)-3-oxopropyl]-N'-prop-2-enylheptanediamide
CID 153356510
3-[butoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 46852394
3-[2-(dimethylamino)ethoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile
CID 88576258
3-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxypropanenitrile;methylhydrazine
CID 170783738
N-(2-cyclopentyloxyethyl)piperidine-4-carboxamide
CID 63828643
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide (CID 140513434) is N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide is CC(C)N(C(C)C)P(OCCC#N)OCCNC(=O)C1CCNCC1.
What is the InChIKey of N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide?
The InChIKey is XUKUXXXMSCJKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N4O3P/c1-14(2)21(15(3)4)25(23-12-5-8-18)24-13-11-20-17(22)16-6-9-19-10-7-16/h14-16,19H,5-7,9-13H2,1-4H3,(H,20,22).
What are the key properties of N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide?
N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyethyl]piperidine-4-carboxamide is sourced from PubChem (CID 140513434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).