N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide

C21H35N5O2 — CID 42848459

IUPACN-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
SMILESCC(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C21H35N5O2/c1-16(2)23-21(28)24-17-10-14-26(15-11-17)19-9-6-5-8-18(19)20(27)22-12-7-13-25(3)4/h5-6,8-9,16-17H,7,10-15H2,1-4H3,(H,22,27)(H2,23,24,28)
InChIKeyTYUJJFMPZAPQQG-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.04
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide

N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 42848459) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID42848459
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC NameN-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
SMILESCC(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C21H35N5O2/c1-16(2)23-21(28)24-17-10-14-26(15-11-17)19-9-6-5-8-18(19)20(27)22-12-7-13-25(3)4/h5-6,8-9,16-17H,7,10-15H2,1-4H3,(H,22,27)(H2,23,24,28)
InChIKeyTYUJJFMPZAPQQG-UHFFFAOYSA-N
XLogP2.04
TPSA76.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
2-methyl-N-[1-[2-(3-methylbutan-2-ylcarbamoyl)phenyl]piperidin-4-yl]benzamide
CID 46037808
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46037280
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
N-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide (CID 42848459) is N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide is CC(C)NC(=O)NC1CCN(c2ccccc2C(=O)NCCCN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is TYUJJFMPZAPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-16(2)23-21(28)24-17-10-14-26(15-11-17)19-9-6-5-8-18(19)20(27)22-12-7-13-25(3)4/h5-6,8-9,16-17H,7,10-15H2,1-4H3,(H,22,27)(H2,23,24,28).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide?
N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 389.54 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).