N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide

C26H43N5O2 — CID 46038383

IUPACN-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCN(C)CCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C26H43N5O2/c1-26(2,3)25(33)27-21-11-15-30(16-12-21)23-10-7-6-9-22(23)24(32)31-19-17-29(18-20-31)14-8-13-28(4)5/h6-7,9-10,21H,8,11-20H2,1-5H3,(H,27,33)
InChIKeyCGSQIZPGCNWWCY-UHFFFAOYSA-N
MW457.66 g/mol
LogP2.53
Rot. Bonds7

About N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide

N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 46038383) has the molecular formula C26H43N5O2 and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID46038383
Molecular FormulaC26H43N5O2
Molecular Weight457.66 g/mol
Exact Mass457.34
IUPAC NameN-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCN(C)CCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C(C)(C)C)CC2)CC1
InChIInChI=1S/C26H43N5O2/c1-26(2,3)25(33)27-21-11-15-30(16-12-21)23-10-7-6-9-22(23)24(32)31-19-17-29(18-20-31)14-8-13-28(4)5/h6-7,9-10,21H,8,11-20H2,1-5H3,(H,27,33)
InChIKeyCGSQIZPGCNWWCY-UHFFFAOYSA-N
XLogP2.53
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 42848378
2,2-dimethyl-N-[1-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]propanamide
CID 46038347
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3,5-difluorobenzamide
CID 46037981
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
N-[1-[2-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]acetamide
CID 42848348
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
4-ethyl-N-[1-[2-(4-methylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46156215
N-[1-[2-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 24719026
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-4-nitrobenzamide
CID 42848245
N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848459
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide (CID 46038383) is N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide is CN(C)CCCN1CCN(C(=O)c2ccccc2N2CCC(NC(=O)C(C)(C)C)CC2)CC1.
What is the InChIKey of N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is CGSQIZPGCNWWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O2/c1-26(2,3)25(33)27-21-11-15-30(16-12-21)23-10-7-6-9-22(23)24(32)31-19-17-29(18-20-31)14-8-13-28(4)5/h6-7,9-10,21H,8,11-20H2,1-5H3,(H,27,33).
What are the key properties of N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 457.66 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[4-[3-(dimethylamino)propyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46038383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).