N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide

C23H37N5O — CID 86882069

IUPACN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
SMILESCCN1CCN(c2cc(CNC(=O)N3CCC4(CCCCC4)CC3)ccn2)CC1
InChIInChI=1S/C23H37N5O/c1-2-26-14-16-27(17-15-26)21-18-20(6-11-24-21)19-25-22(29)28-12-9-23(10-13-28)7-4-3-5-8-23/h6,11,18H,2-5,7-10,12-17,19H2,1H3,(H,25,29)
InChIKeyYSXDSUXDUNCMSF-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.48
Rot. Bonds4

About N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide

N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide (PubChem CID 86882069) has the molecular formula C23H37N5O and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
PubChem CID86882069
Molecular FormulaC23H37N5O
Molecular Weight399.58 g/mol
Exact Mass399.30
IUPAC NameN-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
SMILESCCN1CCN(c2cc(CNC(=O)N3CCC4(CCCCC4)CC3)ccn2)CC1
InChIInChI=1S/C23H37N5O/c1-2-26-14-16-27(17-15-26)21-18-20(6-11-24-21)19-25-22(29)28-12-9-23(10-13-28)7-4-3-5-8-23/h6,11,18H,2-5,7-10,12-17,19H2,1H3,(H,25,29)
InChIKeyYSXDSUXDUNCMSF-UHFFFAOYSA-N
XLogP3.48
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide with MolForge

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Related Compounds

4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[[2-(3-azaspiro[5.5]undecan-3-yl)-4-pyridinyl]methyl]ethanamine
CID 62932701
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]pentanamide
CID 49172277
N'-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733011
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
CID 86967032
4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55793525
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 49266569

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide (CID 86882069) is N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide is CCN1CCN(c2cc(CNC(=O)N3CCC4(CCCCC4)CC3)ccn2)CC1.
What is the InChIKey of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide?
The InChIKey is YSXDSUXDUNCMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O/c1-2-26-14-16-27(17-15-26)21-18-20(6-11-24-21)19-25-22(29)28-12-9-23(10-13-28)7-4-3-5-8-23/h6,11,18H,2-5,7-10,12-17,19H2,1H3,(H,25,29).
What are the key properties of N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide?
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 86882069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).