N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide

C21H30N4O3 — CID 119713180

IUPACN-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CCCNC1
InChIInChI=1S/C21H30N4O3/c1-15(18-3-2-8-22-13-18)11-19(26)24-12-16-4-6-17(7-5-16)21(28)25-10-9-23-20(27)14-25/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyCEKUMHOHXHCDAL-UHFFFAOYSA-N
MW386.50 g/mol
LogP0.90
Rot. Bonds6

About N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide

N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide (PubChem CID 119713180) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
PubChem CID119713180
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CCCNC1
InChIInChI=1S/C21H30N4O3/c1-15(18-3-2-8-22-13-18)11-19(26)24-12-16-4-6-17(7-5-16)21(28)25-10-9-23-20(27)14-25/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,27)(H,24,26)
InChIKeyCEKUMHOHXHCDAL-UHFFFAOYSA-N
XLogP0.90
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119713198
ethyl 4-[(3-piperidin-3-ylbutanoylamino)methyl]benzoate;hydrochloride
CID 119746508
(2R)-2-amino-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 119283789
(2S)-2-amino-3-methyl-N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]butanamide
CID 119283797
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
3-piperidin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide;dihydrochloride
CID 119399577
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-3-piperidin-3-ylbutanamide
CID 119886350
2-methyl-1-(2-methylpropyl)-3-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]guanidine
CID 111180963
N-[(4-phenylmethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119712153
3-[(3-piperidin-3-ylbutanoylamino)methyl]-N-propylbenzamide
CID 119719799

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide (CID 119713180) is N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C1CCCNC1.
What is the InChIKey of N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
The InChIKey is CEKUMHOHXHCDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15(18-3-2-8-22-13-18)11-19(26)24-12-16-4-6-17(7-5-16)21(28)25-10-9-23-20(27)14-25/h4-7,15,18,22H,2-3,8-14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide?
N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide has a molecular weight of 386.50 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-oxopiperazine-1-carbonyl)phenyl]methyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119713180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).