N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide

C19H30N4O2 — CID 110284593

IUPACN-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](CN1CCN(Cc2ccccc2)CC1)NC(=O)N1CCOCC1
InChIInChI=1S/C19H30N4O2/c1-17(20-19(24)23-11-13-25-14-12-23)15-21-7-9-22(10-8-21)16-18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyVBZZZDQJVWBKED-KRWDZBQOSA-N
MW346.48 g/mol
LogP1.23
Rot. Bonds5

About N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 110284593) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID110284593
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide
SMILESC[C@@H](CN1CCN(Cc2ccccc2)CC1)NC(=O)N1CCOCC1
InChIInChI=1S/C19H30N4O2/c1-17(20-19(24)23-11-13-25-14-12-23)15-21-7-9-22(10-8-21)16-18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyVBZZZDQJVWBKED-KRWDZBQOSA-N
XLogP1.23
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenylethyl)-N-[(2S)-1-pyrrolidin-1-ylpropan-2-yl]piperazine-1-carboxamide
CID 125445404
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-3-phenylbutanamide
CID 110624490
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624489
(2R)-4-methyl-2-[1-(morpholine-4-carbonylamino)-2-phenylethyl]pentanoic acid
CID 70065737
4-(2-morpholin-4-ylethyl)-N-(1-phenylethyl)piperazine-1-carboxamide
CID 113105903
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110624494
N-butan-2-yl-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113104308
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
4-benzyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboxamide
CID 60570095
N-[(1S)-2-methyl-1-phenylpropyl]morpholine-4-carboxamide
CID 34672149
N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]propanamide
CID 110285473
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide (CID 110284593) is N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide is C[C@@H](CN1CCN(Cc2ccccc2)CC1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is VBZZZDQJVWBKED-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-17(20-19(24)23-11-13-25-14-12-23)15-21-7-9-22(10-8-21)16-18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(4-benzylpiperazin-1-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 110284593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).