N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide

C18H27N3O — CID 95776434

IUPACN-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H27N3O/c1-3-4-10-18(22)19-16(2)15-20-11-13-21(14-12-20)17-8-6-5-7-9-17/h3,5-9,16H,1,4,10-15H2,2H3,(H,19,22)/t16-/m1/s1
InChIKeyDIJJMJAUVCGBOE-MRXNPFEDSA-N
MW301.43 g/mol
LogP2.28
Rot. Bonds7

About N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide

N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide (PubChem CID 95776434) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
PubChem CID95776434
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H27N3O/c1-3-4-10-18(22)19-16(2)15-20-11-13-21(14-12-20)17-8-6-5-7-9-17/h3,5-9,16H,1,4,10-15H2,2H3,(H,19,22)/t16-/m1/s1
InChIKeyDIJJMJAUVCGBOE-MRXNPFEDSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]butanamide
CID 119903454
1-[(2S)-1-hydroxypropan-2-yl]-3-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 97019834
2-methyl-3-(methylamino)-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide;trihydrochloride
CID 119903471
(2S)-2-methylsulfonyl-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]propanamide
CID 95776431
1-(4-hydroxy-3-methylbutan-2-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
CID 111506661
1-amino-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]cyclopentane-1-carboxamide
CID 119903462
2-chloro-5-hydroxy-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 100647066
2-chloro-5-hydroxy-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 119035650
2-oxo-N-[1-(4-phenylpiperazin-1-yl)propan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 122144017
tert-butyl 2-amino-3-(4-phenylpiperazin-1-yl)propanoate
CID 174641215
(1R,2R,4R)-N-[(2S)-1-(4-phenylpiperazin-1-yl)propan-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 129377993
N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 8688385

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide?
The IUPAC name of N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide (CID 95776434) is N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide.
What is the SMILES notation for N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide?
The canonical SMILES for N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide is C=CCCC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide?
The InChIKey is DIJJMJAUVCGBOE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-4-10-18(22)19-16(2)15-20-11-13-21(14-12-20)17-8-6-5-7-9-17/h3,5-9,16H,1,4,10-15H2,2H3,(H,19,22)/t16-/m1/s1.
What are the key properties of N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide?
N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide has a molecular weight of 301.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-phenylpiperazin-1-yl)propan-2-yl]pent-4-enamide is sourced from PubChem (CID 95776434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).